In silico testing
Under the frame of in silico testing, the system has been tested whether it is operational in Test Cases targeting the original goals of proposed use of the system. During this test phase, QSAR/QSPR models were built on in vitro measurements of Multi-drug resistance (MDR) and G-protein coupled receptor (GPCR) activity, as well as a model was built on a selected set of the Colinus Virginianus (bobwhite quail) toxicity data collected from the public ECOTOX database.
The overall test results were very good; all major functionalities were operational. Only a few, minor errors have been discovered, and all of the errors have been corrected. The testing of the model building capabilities resulted in several QSAR models for the above three different biological activities. The models, especially on MDR activity show considerably high accuracy. The predictive power of the models, however, has not been tested.
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